Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6707566e0f6facac460844691503e9fd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.82,
"b": 63.19,
"c": 68.12,
"alpha": 90.00,
"beta": 88.23,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.3,1.700],
"number_observations_unique": 40013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 13.910
},
{
"type": "Completeness",
"value": 99.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.700],
"number_observations": 12463,
"number_observations_unique": 3316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "I/SigI",
"value": 2.780
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.800,1.750],
"number_observations": 11068,
"number_observations_unique": 2948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 3.260
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.900,1.800],
"number_observations": 18903,
"number_observations_unique": 5018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 4.420
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.000,1.900],
"number_observations": 15291,
"number_observations_unique": 4062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.500,2.000],
"number_observations": 45327,
"number_observations_unique": 11973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 11.860
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 20108,
"number_observations_unique": 5302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 19.930
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [6.000,3.000],
"number_observations": 24312,
"number_observations_unique": 6442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 32.080
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 2735,
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 35.420
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [46.3,10.000],
"number_observations": 716,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 96.400
}
]
}
]
}